arXiv:2509.01916cs.LG2025-09KDD

利用生物网络结构提升因果表示学习,更好预测基因扰动结果。

Causal Representation Learning from Network Data

  • 引入路径图作为辅助视图,结合图神经网络增强因果推断
  • 在三个CRISPR数据集上,对未见扰动组合的预测准确率显著提升
  • 适合生物医学领域研究者,尤其关注基因调控与干预预测

在满足线性干预忠实性假设且同时具备观测与干预数据的前提下,从软干预中实现因果解耦是可识别的。以往工作多基于无结构观测,未利用实体间的已知关系上下文。而在诸多科学应用中,如蛋白质-蛋白质互作和通路-基因归属,变量间存在可观测的交互网络,提供了结构性上下文。我们提出GraCE-VAE,一种图感知的因果差异变分自编码器,将通路级信息视为潜在因果程序的辅助视图。图神经网络编码器利用该辅助视图与生物图结构进行条件建模,以改进近似推理;而因果解码器仍为带有软干预的潜在结构因果模型。假设每种干预条件下样本独立同分布,我们证明GraCE-VAE继承了因果差异VAE的可识别性保证,可识别出潜因因果图及干预目标,至标准等价类。在三个CRISPR扰动数据集上的实验表明,利用结构化生物上下文能有效提升对干预结果的预测性能,包括未见的扰动组合。

原文摘要 · Abstract (English)

Causal disentanglement from soft interventions is identifiable under the assumptions of linear interventional faithfulness and availability of both observational and interventional data. Prior work has focused on unstructured observations without leveraging known relational context among measured entities. In many scientific applications, however, the measured variables come with an observed interaction network that provides structured context, such as protein-protein interactions and pathway-gene membership. We propose GraCE-VAE, a graph-aware causal discrepancy variational autoencoder that treats pathway-level information as an auxiliary view of the latent causal programs. The graph neural network encoder conditions on this auxiliary pathway view and the biological graph to improve amortized inference, while the causal decoder remains a latent SCM with soft interventions. Assuming samples are i.i.d. within each intervention regime, we show that GraCE-VAE inherits the identifiability guarantees of causal discrepancy VAEs and identifies the latent causal graph and intervention targets up to the standard equivalence class. Experiments on three CRISPR perturbation datasets demonstrate that leveraging structured biological context improves prediction of interventional outcomes, including unseen perturbation combinations.

因果表示生物网络基因扰动图神经网络

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